Analysis output: all-atom contacts and geometry for model18xplor_renum1H.pdb
Summary statistics
| All-Atom Contacts |
Clashscore, all atoms: | 0.7 | 99th percentile* (N=1784, all resolutions) | |
| Clashscore is the number of serious steric overlaps (> 0.4 Å) per 1000 atoms. | ||||
| Protein Geometry |
Poor rotamers | 1 | 1.32% | Goal: <0.3% |
| Favored rotamers | 73 | 96.05% | Goal: >98% | |
| Ramachandran outliers | 0 | 0.00% | Goal: <0.05% | |
| Ramachandran favored | 87 | 98.86% | Goal: >98% | |
| Rama distribution Z-score | -0.56 ± 0.81 | Goal: abs(Z score) < 2 | ||
| MolProbity score^ | 0.82 | 100th percentile* (N=27675, 0Å - 99Å) | ||
| Cβ deviations >0.25Å | 0 | 0.00% | Goal: 0 | |
| Bad bonds: | 0 / 733 | 0.00% | Goal: 0% | |
| Bad angles: | 0 / 993 | 0.00% | Goal: <0.1% | |
| Peptide Omegas | Cis Prolines: | 0 / 2 | 0.00% | Expected: ≤1 per chain, or ≤5% |
| Low-resolution Criteria | CaBLAM outliers | 0 | 0.0% | Goal: <1.0% |
| CA Geometry outliers | 0 | 0.00% | Goal: <0.5% | |
| Additional validations | Chiral volume outliers | 0/110 | ||
| Waters with clashes | 0/0 | 0.00% | See UnDowser table for details | |
* 100th percentile is the best among structures of comparable resolution; 0th percentile is the worst. For clashscore the comparative set of structures was selected in 2004, for MolProbity score in 2006.
^ MolProbity score combines the clashscore, rotamer, and Ramachandran evaluations into a single score, normalized to be on the same scale as X-ray resolution.
Key to table colors and cutoffs here:
Multi-criterion visualizations
 View in KiNG | View in NGL | Download (318 Kb) |
 View (112 Kb) |
 View (2.8 Kb) |
Single-criterion visualizations
- Clash list (216 bytes): View
- Ramachandran plot kinemage (410 Kb): View in KiNG | View in NGL | Download
- Ramachandran plot PDF (1.7 Mb): View
- Ramachandran distribution Z-score analysis (5.7 Kb): View
- Chiral volume report (787 bytes): View
- Cβ deviation scatter plot (13 Kb): View in KiNG | View in NGL | Download